ethane;2-ethyl-6-methylpyridine-4-carbonitrile

C11H16N2 — CID 142101388

IUPACethane;2-ethyl-6-methylpyridine-4-carbonitrile
SMILESCC.CCc1cc(C#N)cc(C)n1
InChIInChI=1S/C9H10N2.C2H6/c1-3-9-5-8(6-10)4-7(2)11-9;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyPQHIHZWLLMNLNM-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.85
Rot. Bonds1

About ethane;2-ethyl-6-methylpyridine-4-carbonitrile

ethane;2-ethyl-6-methylpyridine-4-carbonitrile (PubChem CID 142101388) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;2-ethyl-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Nameethane;2-ethyl-6-methylpyridine-4-carbonitrile
PubChem CID142101388
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;2-ethyl-6-methylpyridine-4-carbonitrile
SMILESCC.CCc1cc(C#N)cc(C)n1
InChIInChI=1S/C9H10N2.C2H6/c1-3-9-5-8(6-10)4-7(2)11-9;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyPQHIHZWLLMNLNM-UHFFFAOYSA-N
XLogP2.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6-methylpyridine-4-carbonitrile?
The IUPAC name of ethane;2-ethyl-6-methylpyridine-4-carbonitrile (CID 142101388) is ethane;2-ethyl-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for ethane;2-ethyl-6-methylpyridine-4-carbonitrile?
The canonical SMILES for ethane;2-ethyl-6-methylpyridine-4-carbonitrile is CC.CCc1cc(C#N)cc(C)n1.
What is the InChIKey of ethane;2-ethyl-6-methylpyridine-4-carbonitrile?
The InChIKey is PQHIHZWLLMNLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-3-9-5-8(6-10)4-7(2)11-9;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-6-methylpyridine-4-carbonitrile?
ethane;2-ethyl-6-methylpyridine-4-carbonitrile has a molecular weight of 176.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 142101388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).